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Information card for entry 7236687
Preview
| Coordinates | 7236687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H34 N2 O2 S |
|---|---|
| Calculated formula | C39 H34 N2 O2 S |
| Title of publication | Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes |
| Authors of publication | Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun |
| Journal of publication | Journal of Materials Chemistry B |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 26 |
| Pages of publication | 5096 |
| a | 9.805 ± 0.005 Å |
| b | 39.34 ± 0.02 Å |
| c | 9.106 ± 0.005 Å |
| α | 90° |
| β | 115.444 ± 0.008° |
| γ | 90° |
| Cell volume | 3172 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1189 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236687.cif |
| 236426 | 2019-11-24 | cif/ Adding structures of 7236686, 7236687 via cif-deposit CGI script. |
7236687.cif |
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Users of the data should acknowledge the original authors of the
structural data.